[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-tert-butyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-tert-butyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-tert-butyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-tert-butylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-tert-butylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-tert-butyl-ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H28BrNO2/c1-6-24-19-12-17(13-23-21(3,4)5)11-18(22)20(19)25-14-16-9-7-15(2)8-10-16/h7-12,23H,6,13-14H2,1-5H3/p+1